1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine

C17H20BrNO — CID 63499604

IUPAC1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc(Br)cc2C(C)N)c1
InChIInChI=1S/C17H20BrNO/c1-11-6-12(2)8-14(7-11)10-20-17-5-4-15(18)9-16(17)13(3)19/h4-9,13H,10,19H2,1-3H3
InChIKeyDJUUJTPBKDVNLG-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.66
Rot. Bonds4

About 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine

1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 63499604) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
PubChem CID63499604
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(C)cc(COc2ccc(Br)cc2C(C)N)c1
InChIInChI=1S/C17H20BrNO/c1-11-6-12(2)8-14(7-11)10-20-17-5-4-15(18)9-16(17)13(3)19/h4-9,13H,10,19H2,1-3H3
InChIKeyDJUUJTPBKDVNLG-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]benzonitrile
CID 78937287
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63536193
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 62369867
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 78953406
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine (CID 63499604) is 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine is Cc1cc(C)cc(COc2ccc(Br)cc2C(C)N)c1.
What is the InChIKey of 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is DJUUJTPBKDVNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-6-12(2)8-14(7-11)10-20-17-5-4-15(18)9-16(17)13(3)19/h4-9,13H,10,19H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine?
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63499604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).